| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:10 UTC |
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| Update Date | 2025-03-25 00:47:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N5O4S |
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| Molecular Mass | 337.0845 |
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| SMILES | Nc1ncnc2c1NC(Cc1cccc(OS(=O)(=O)O)c1)CN2 |
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| InChI Key | SDEGSDIPZOIWGA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsprimary aminespyrimidines and pyrimidine derivativessecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterpyrimidinephenylsulfateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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